2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide

C14H28N2O — CID 103930317

IUPAC2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide
SMILESC[C@H](NC(=O)C(N)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H28N2O/c1-10(11-8-6-5-7-9-11)16-13(17)12(15)14(2,3)4/h10-12H,5-9,15H2,1-4H3,(H,16,17)/t10-,12?/m0/s1
InChIKeyPCBXJBQPGHUVEW-NUHJPDEHSA-N
MW240.39 g/mol
LogP2.44
Rot. Bonds3

About 2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide

2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide (PubChem CID 103930317) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide
PubChem CID103930317
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide
SMILESC[C@H](NC(=O)C(N)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H28N2O/c1-10(11-8-6-5-7-9-11)16-13(17)12(15)14(2,3)4/h10-12H,5-9,15H2,1-4H3,(H,16,17)/t10-,12?/m0/s1
InChIKeyPCBXJBQPGHUVEW-NUHJPDEHSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide
CID 76893105
(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119809042
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
(2R)-2-amino-N-[(1S)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390017
(2R)-2-amino-N-[(1R)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390053
3-amino-N-[(1R)-1-cycloheptylethyl]-3-methylbutanamide
CID 81393226
3-amino-N-[(1R)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390694
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
2-bromo-N-(1-cyclohexylethyl)propanamide
CID 107905148
N-[(1S)-1-cyclopentylethyl]acetamide
CID 81388909
(2R)-2-amino-N-(1-cyclopropylpropan-2-yl)-3,3-dimethylbutanamide
CID 103929976

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide (CID 103930317) is 2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide is C[C@H](NC(=O)C(N)C(C)(C)C)C1CCCCC1.
What is the InChIKey of 2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide?
The InChIKey is PCBXJBQPGHUVEW-NUHJPDEHSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(11-8-6-5-7-9-11)16-13(17)12(15)14(2,3)4/h10-12H,5-9,15H2,1-4H3,(H,16,17)/t10-,12?/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide?
2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide has a molecular weight of 240.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 103930317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).